CID 86683169

N-tert-butyl-1-formylcyclopropane-1-sulfonamide

Structural Information

Molecular Formula
C8H15NO3S
SMILES
CC(C)(C)NS(=O)(=O)C1(CC1)C=O
InChI
InChI=1S/C8H15NO3S/c1-7(2,3)9-13(11,12)8(6-10)4-5-8/h6,9H,4-5H2,1-3H3
InChIKey
HWRWXSHAVJWSCE-UHFFFAOYSA-N
Compound name
N-tert-butyl-1-formylcyclopropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

205.07727 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.084546 142.4
[M+Na]+ 228.066488 151.3
[M-H]- 204.069994 147.1
[M+NH4]+ 223.111093 158.6
[M+K]+ 244.040428 149.3
[M+H-H2O]+ 188.074530 138.3
[M+HCOO]- 250.075471 159.2
[M+CH3COO]- 264.091121 186.4
[M+Na-2H]- 226.051936 149.2
[M]+ 205.07672142 148.4
[M]- 205.07781858 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe